MPQC  3.0.0-alpha
pairiter.impl.h
1 //
2 // pairiter.impl.h
3 //
4 // Copyright (C) 2007 Edward Valeev
5 //
6 // Author: Edward Valeev <evaleev@vt.edu>
7 // Maintainer: EV
8 //
9 // This file is part of the SC Toolkit.
10 //
11 // The SC Toolkit is free software; you can redistribute it and/or modify
12 // it under the terms of the GNU Library General Public License as published by
13 // the Free Software Foundation; either version 2, or (at your option)
14 // any later version.
15 //
16 // The SC Toolkit is distributed in the hope that it will be useful,
17 // but WITHOUT ANY WARRANTY; without even the implied warranty of
18 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19 // GNU Library General Public License for more details.
20 //
21 // You should have received a copy of the GNU Library General Public License
22 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24 //
25 // The U.S. Government is granted a limited license as per AL 91-7.
26 //
27 
28 #ifndef _chemistry_qc_mbptr12_pairiterimpl_h
29 #define _chemistry_qc_mbptr12_pairiterimpl_h
30 
31 #include <util/misc/scexception.h>
32 #include <math/mmisc/pairiter.h>
33 
34 namespace sc {
35  namespace fastpairiter {
36 
37  template <PairSymm PSymm>
38  MOPairIter<PSymm>::~MOPairIter() {
39  }
40 
41  template <PairSymm PSymm>
43  init();
44  }
45 
46  template <PairSymm PSymm>
48  return (IJ_ < nIJ_);
49  }
50 
51  } // namespace fastpairiter
52 }
53 
54 #endif
55 
sc::fastpairiter::MOPairIter
SpinMOPairIter iterates over pairs of spinorbitals of spin case Spin12 This class differs from other ...
Definition: pairiter.h:329
sc::fastpairiter::MOPairIter::start
void start()
Start the iteration.
Definition: pairiter.impl.h:42
sc
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14

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